CID 39098

Acetic acid, acetoxydiphenyl-, 2-pyridylmethyl ester, hydrochloride

Structural Information

Molecular Formula
C22H19NO4
SMILES
CC(=O)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=CC=CC=N3
InChI
InChI=1S/C22H19NO4/c1-17(24)27-22(18-10-4-2-5-11-18,19-12-6-3-7-13-19)21(25)26-16-20-14-8-9-15-23-20/h2-15H,16H2,1H3
InChIKey
HWYUBUDFHZDFQB-UHFFFAOYSA-N
Compound name
pyridin-2-ylmethyl 2-acetyloxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13868 186.1
[M+Na]+ 384.12062 190.3
[M-H]- 360.12412 193.6
[M+NH4]+ 379.16522 195.6
[M+K]+ 400.09456 186.7
[M+H-H2O]+ 344.12866 175.4
[M+HCOO]- 406.12960 205.1
[M+CH3COO]- 420.14525 211.8
[M+Na-2H]- 382.10607 190.9
[M]+ 361.13085 187.7
[M]- 361.13195 187.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.